- InChI
- InChI=1S/C17H17Cl3O4/c1-3-6-11(4-2)23-16(21)7-5-8-17(22)24-15-10-13(19)12(18)9-14(15)20/h9-11H,4-5,7-8H2,1-2H3
- InChI Key
- XIIZFAUNSMFTFK-UHFFFAOYSA-N
- Formula
- C17H17Cl3O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1cc(C
l)c(Cl)cc1Cl - Molecular Weight1
- 391.67
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7957 | Relay (1.0) Calculated Property | |
| ΔfG° | -127.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.068 | Crippen Calculated Property | |
| McVol | 269.630 | ml/mol | McGowan Calculated Property |
| Pc | 1714.61 | kPa | Joback Calculated Property |
| Inp | [2603.00; 2603.00] |
|
|
| Inp | 2603.00 | NIST | |
| Inp | 2603.00 | NIST | |
| Tboil | 624.37 | K | Relay (1.0) Calculated Property |
| Tc | 888.21 | K | Relay (1.0) Calculated Property |
| Tfus | 352.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [722.48; 771.60] | J/mol×K | [903.41; 1134.67] |
|
| Cp,gas | 722.48 | J/mol×K | 903.41 | Joback Calculated Property |
| Cp,gas | 733.53 | J/mol×K | 941.95 | Joback Calculated Property |
| Cp,gas | 743.43 | J/mol×K | 980.50 | Joback Calculated Property |
| Cp,gas | 752.17 | J/mol×K | 1019.04 | Joback Calculated Property |
| Cp,gas | 759.78 | J/mol×K | 1057.59 | Joback Calculated Property |
| Cp,gas | 766.25 | J/mol×K | 1096.13 | Joback Calculated Property |
| Cp,gas | 771.60 | J/mol×K | 1134.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2,4,5-trichlorophenyl ester.
Sources
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